Zinc in PDB 1w9b: S. Alba Myrosinase in Complex with Carba-Glucotropaeolin

All present enzymatic activity of S. Alba Myrosinase in Complex with Carba-Glucotropaeolin:
3.2.3.1;

The structure of S. Alba Myrosinase in Complex with Carba-Glucotropaeolin, PDB code: 1w9b was solved by A.Bourderioux, M.Lefoix, D.Gueyrard, A.Tatibouet, S.Cottaz, S.Arzt, W.P.Burmeister, P.Rollin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	97.00 / 1.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	135.300, 137.200, 80.600, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 19.1

The binding sites of Zinc atom in the S. Alba Myrosinase in Complex with Carba-Glucotropaeolin (pdb code 1w9b). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the S. Alba Myrosinase in Complex with Carba-Glucotropaeolin, PDB code: 1w9b:

Zinc binding site 1 out of 1 in the S. Alba Myrosinase in Complex with Carba-Glucotropaeolin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of S. Alba Myrosinase in Complex with Carba-Glucotropaeolin within 5.0Å range: probe atom residue distance (Å) B Occ M:Zn1502 b:8.3 occ:0.50 NE2 M:HIS56 2.0 6.5 1.0 OD2 M:ASP70 2.0 8.4 1.0 CG M:ASP70 2.8 9.7 1.0 OD1 M:ASP70 2.9 8.8 1.0 CE1 M:HIS56 3.0 8.5 1.0 CD2 M:HIS56 3.0 9.2 1.0 O M:HOH2140 3.8 22.3 1.0 ND1 M:HIS56 4.1 7.9 1.0 CG M:HIS56 4.2 8.5 1.0 CB M:ASP70 4.2 9.3 1.0 ND2 M:ASN68 4.5 11.6 1.0 O M:HOH2089 4.6 29.5 1.0 OD1 M:ASN68 4.8 9.8 1.0 CG M:ASN68 4.9 10.6 1.0

A.Bourderioux, M.Lefoix, D.Gueyrard, A.Tatibouet, S.Cottaz, S.Arzt, W.P.Burmeister, P.Rollin. The Glucosinolate-Myrosinase System. New Insights Into Enzyme-Substrate Interactions By Use of Simplified Inhibitors. Org. Biomol. Chem. V. 3 1872 2005.
ISSN: ISSN 1477-0520
PubMed: 15889170
DOI: 10.1039/B502990B